Marc C. Deller, D.Phil.
marcdeller.com eloratherapeutics.com marc@marcdeller.com GitHub DOI 10.5281/zenodo.21807353 
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PETase ANnotation and Triage System

Nature's solution to a human-made problem, and structural learnings from Nature

PANTS-cabf92291864

Human gut 244 aa · assembly ERZ4561272_FASTA_predicted_cds · contig ERZ4561272.49000-Hadza-MoBio-hadza-A-D-F-2-1628--NODE-49000-length-3588-cov-87.926801_3

Retrieval

E-value1.50e-09
Bitscore25.0
Identity to nearest0.300
Nearest characterisedEC:A0A5S4FJI0

Structure

Methodesmfold
Mean pLDDT91.9
RMSD to IsPETase18.33 Å
Aligned fraction0.211

Aligned fraction is a length-normalised gemmi superposition statistic, not a true TM-score.

Active site

TriadS140/D190/H222
Ser–His2.83 Å
His–Asp3.23 Å
Cleft width17.43 Å
Cleft depth4.43 Å

Aromatic clamp: PHE223, TRP111, TRP147, TYR229, TYR64

Structure, superposed on IsPETase

Catalytic triad drawn as ball-and-stick from the measured residues.

Sequence

MELTRRGFLSLTAASAFCLLCAGCGDAAAVSPAGTLTAHTGGTGLSYWLYTPQSTGTPKTLVLYLHGGSGKGSDLNAVLEAESLPRFLQEGQLAPDAYVVMPQLPANCKGWSDRTAQLMQLLAVIKAQYPIARTALTGHSMGGTGCWDLALAHPEAFCVAAPLSGSVRLTEQNLTSLQSLPVWAVVGSADTIVKPDASEQFITALQEKNPNARLTVREGATHFDVPQAYLDDTLGLLDWLTAAR